2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide

C11H18N2O2S — CID 66219613

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCC(CN)SCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C11H18N2O2S/c1-9(6-12)16-8-11(14)13(2)7-10-4-3-5-15-10/h3-5,9H,6-8,12H2,1-2H3
InChIKeyJMFKDEYHRXYNHA-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.32
Rot. Bonds6

About 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide

2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 66219613) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID66219613
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCC(CN)SCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C11H18N2O2S/c1-9(6-12)16-8-11(14)13(2)7-10-4-3-5-15-10/h3-5,9H,6-8,12H2,1-2H3
InChIKeyJMFKDEYHRXYNHA-UHFFFAOYSA-N
XLogP1.32
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
(2S)-2-amino-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106443214
2-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 124851258
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 100708985
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43300561
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51073014

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide (CID 66219613) is 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide is CC(CN)SCC(=O)N(C)Cc1ccco1.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is JMFKDEYHRXYNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(6-12)16-8-11(14)13(2)7-10-4-3-5-15-10/h3-5,9H,6-8,12H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 242.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 66219613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).